Structure Database (LMSD)

Common Name
10,11-dihydro-Resolvin E1
Systematic Name
5S,12,18S-trihydroxy-6Z,8E,14Z,16E-eicosatetraenoic acid
Synonyms
  • 10,11-dihydro-RvE1
LM ID
LMFA03140001
Status
Active
Exact Mass
Calculate m/z
352.224975
Formula
Abbrev


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
KOYKAOBHYIJNTF-ZWLIVBFSSA-N
InChi (Click to copy)
InChI=1S/C20H32O5/c1-2-17(21)11-8-5-9-14-18(22)12-6-3-4-7-13-19(23)15-10-16-20(24)25/h3-5,7-9,11,13,17-19,21-23H,2,6,10,12,14-16H2,1H3,(H,24,25)/b4-3+,9-5-,11-8+,13-7-/t17-,18?,19+/m0/s1
SMILES (Click to copy)
C(CCC[C@H](O)/C=C\C=C\CCC(O)C/C=C\C=C\[C@@H](O)CC)(=O)O

References

Other Databases

CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 0
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 385.31
Topological Polar Surface Area 97.99
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 5
logP 3.99
Molar Refractivity 101.75

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Created at
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Updated at
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